%chk=000105640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105640

0 1
 S    6.194800       1.514600     -0.2598000    
 S    4.046400      -3.229700      8.1100002E-02
 O   -3.392200     -0.8927000     -0.1942000    
 O    1.547800      -2.528400     -2.7200000E-02
 O    1.294600      0.9463000      0.5993000    
 O    6.594100       1.806900      -1.813900    
 O    7.191600      0.6337000      0.3208000    
 O    5.830400       2.769600      0.3719000    
 N    2.914200     -0.7498000      0.4373000    
 N   -3.249700       1.362000      0.2426000    
 C    4.146600     -1.8900000E-02  0.6927000    
 C    4.724500      0.5878000     -0.5715000    
 C   0.8195000      -1.359400      0.1218000    
 C   -2.523400      0.1888000      9.2200004E-02
 C   -4.583100       1.032200      5.1399998E-02
 C  -0.5174000      -1.294200      6.0999999E-03
 C    1.664600     -0.1980000      0.4203000    
 C   -4.661700     -0.3427000     -0.2138000    
 C   -1.205300     -2.2000000E-02  0.1788000    
 C    2.835800      -2.092000      0.1784000    
 C   -2.811200       2.704000      0.5339000    
 C   -5.732600       1.793700      8.2699999E-02
 C   -1.318100      -2.529200     -0.3021000    
 C   -5.846600      -1.001400     -0.4521000    
 C   -6.953800       1.150700     -0.1560000    
 C   -7.009700     -0.2320000     -0.4206000    
 H    4.877600     -0.6723000       1.179100    
 H    3.913100      0.7841000       1.402300    
 H    4.005000       1.260800      -1.049900    
 H    4.980700     -0.2006000      -1.287100    
 H  -0.6761000      0.8837000      0.3993000    
 H   -3.087400       3.384800     -0.2790000    
 H   -1.726800       2.772300      0.6604000    
 H   -3.269500       3.067200       1.460400    
 H   -5.707600       2.858800      0.2847000    
 H   -2.019300      -2.761100      0.5065000    
 H  -0.6863000      -3.418300     -0.4083000    
 H   -1.850700      -2.431000      -1.254100    
 H   -5.880200      -2.064800     -0.6548000    
 H   -7.875400       1.727000     -0.1373000    
 H   -7.972500     -0.7024000     -0.6021000    
 H    6.926700       1.028800      -2.320200    


%chk=000105640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105640

0 1
S 6.453179 1.490588 -0.264938
S 4.223500 -3.112436 -0.093715
O -3.673762 -0.946217 -0.239098
O 1.589792 -2.379524 -0.153108
O 1.405381 1.129357 0.604072
O 7.321928 0.996349 -1.838061
O 7.223527 0.879709 1.020391
O 6.121732 3.073908 -0.307800
N 2.964822 -0.669297 0.338372
N -3.457893 1.263620 0.287563
C 4.173680 0.100079 0.637603
C 4.900636 0.438584 -0.675949
C 0.769827 -1.211151 0.038947
C -2.742432 0.079291 0.064462
C -4.838779 1.018013 0.127314
C -0.616918 -1.283179 -0.083201
C 1.644056 -0.091478 0.354632
C -4.968743 -0.354874 -0.197329
C -1.368991 -0.078764 0.126874
C 2.941734 -2.031463 0.035197
C -2.823239 2.537798 0.634228
C -5.977552 1.836401 0.232457
C -1.265766 -2.609656 -0.424200
C -6.193100 -0.979320 -0.427989
C -7.234934 1.221363 0.001666
C -7.345222 -0.154295 -0.321136
H 4.831629 -0.496313 1.293056
H 3.846543 1.016106 1.160651
H 4.325101 1.083164 -1.356611
H 5.309399 -0.451611 -1.177398
H -0.791698 0.821128 0.367476
H -2.173989 2.890451 -0.187087
H -2.210060 2.430048 1.546444
H -3.602735 3.291415 0.820140
H -5.910685 2.899793 0.479784
H -1.979739 -2.907235 0.364439
H -0.511179 -3.400937 -0.541304
H -1.850256 -2.528110 -1.357889
H -6.258656 -2.041463 -0.676098
H -8.143019 1.828315 0.075213
H -8.333279 -0.592192 -0.492280
H 8.177560 1.510934 -1.895787


